(3-methylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: m-tolylmethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (3-methylbenzyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H17NO6/c1-11-5-4-6-12(7-11)10-24-17(19)13-8-15(22-2)16(23-3)9-14(13)18(20)21/h4-9H,10H2,1-3H3